HRID1226018

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID923

Sodium ion

Na+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID30165

Iodide ion

I-

HCID61778

Bisulfate anion

HO4S-

HCID166653

Hydride

H-

HCID2783006

5-(Chloromethyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole

C12H9ClF3NS

HCID67072259

未命名化合物

PRODUCTS

生成物

结构：COC(=O)COc1ccc(N(Cc2sc(-c3ccc(C(F)(F)F)cc3)nc2C)C(=O)OC(C)(C)C)cc1C

HCID69218315

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-407d258968e244689fa9a930940f9cc0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH3:1][O:2][C:3]([CH2:4][O:5][c:6]1[c:7]([CH3:20])[cH:8][c:9]([NH:12][C:13](=[O:14])[O:15][C:16]([CH3:17])([CH3:18])[CH3:19])[cH:10][cH:11]1)=[O:21].[Cl:24][CH2:25][c:26]1[c:27]([CH3:41])[n:28][c:29](-[c:31]2[cH:32][cH:33][c:34]([C:37]([F:38])([F:39])[F:40])[cH:35][cH:36]2)[s:30]1.[H-:43].[I-:23].[K+:49].[Na+:22].[Na+:42].[O:50]=[CH:51][N:52]([CH3:53])[CH3:54].[S:44](=[O:45])(=[O:46])([OH:47])[O-:48]>>[CH3:1][O:2][C:3]([CH2:4][O:5][c:6]1[c:7]([CH3:20])[cH:8][c:9]([N:12]([C:13](=[O:14])[O:15][C:16]([CH3:17])([CH3:18])[CH3:19])[CH2:25][c:26]2[c:27]([CH3:41])[n:28][c:29](-[c:31]3[cH:32][cH:33][c:34]([C:37]([F:38])([F:39])[F:40])[cH:35][cH:36]3)[s:30]2)[cH:10][cH:11]1)=[O:21]